4-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCCCC#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCCCC#N

InChI

InChI=1S/C16H21N5OS/c17-8-2-5-12-23-16-19-18-15(20-9-3-1-4-10-20)21(16)13-14-7-6-11-22-14/h6-7,11H,1-5,9-10,12-13H2